Molecule

ID:43713

General Information
Structure
MolImage
Molecular Formula
C₉H₉Cl₃N₂O
Molecular Mass
267.53956
Exact Mass
265.97804596
Charge
0
InChI
InChI=1S/C9H9Cl3N2O/c10-3-4-13-9(15)14-6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2,(H2,13,14,15)
InChIKey
NAGCPPYNSJHGKC-UHFFFAOYSA-N
Canonic Smiles
ClCCNC(=O)Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)Cl)NCCCl
Calculated Properties
JChem
Acid pKa
13.28303
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.973666
LogD (pH = 7.4)
2.9736655
Log P
2.973666
Molar Refractivity
63.4473
Polarizability
23.923029
Polar Surface Area
41.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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